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Merge pull request #30 from keniley1/master
Adding kernels for electron-impact reactions under the Townsend formulation
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‎include/kernels/ElectronEnergyTermElasticTownsend.h‎

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//* This file is part of Zapdos, an open-source
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//* application for the simulation of plasmas
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//* https://github.com/shannon-lab/zapdos
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//*
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//* Zapdos is powered by the MOOSE Framework
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//* https://www.mooseframework.org
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//*
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//* Licensed under LGPL 2.1, please see LICENSE for details
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//* https://www.gnu.org/licenses/lgpl-2.1.html
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#ifndef ELECTRONENERGYTERMELASTICTOWNSEND_H
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#define ELECTRONENERGYTERMELASTICTOWNSEND_H
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#include "Kernel.h"
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class ElectronEnergyTermElasticTownsend;
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template <>
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InputParameters validParams<ElectronEnergyTermElasticTownsend>();
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class ElectronEnergyTermElasticTownsend : public Kernel
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{
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public:
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ElectronEnergyTermElasticTownsend(const InputParameters & parameters);
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virtual ~ElectronEnergyTermElasticTownsend();
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protected:
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virtual Real computeQpResidual();
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virtual Real computeQpJacobian();
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virtual Real computeQpOffDiagJacobian(unsigned int jvar);
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Real _r_units;
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std::string _reaction_coeff_name;
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const MaterialProperty<Real> & _diffem;
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const MaterialProperty<Real> & _muem;
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const MaterialProperty<Real> & _alpha;
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const MaterialProperty<Real> & _d_iz_d_actual_mean_en;
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const MaterialProperty<Real> & _d_muem_d_actual_mean_en;
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const MaterialProperty<Real> & _d_diffem_d_actual_mean_en;
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// const MaterialProperty<Real> & _massem;
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const MaterialProperty<Real> & _massGas;
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const MaterialProperty<Real> & _d_el_d_actual_mean_en;
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const VariableGradient & _grad_potential;
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const VariableValue & _em;
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const VariableGradient & _grad_em;
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unsigned int _potential_id;
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unsigned int _em_id;
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Real _massem;
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};
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#endif /* ELECTRONENERGYLOSSFROMELASTIC_H */

‎include/kernels/ElectronEnergyTermTownsend.h‎

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/****************************************************************/
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/* DO NOT MODIFY THIS HEADER */
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/* MOOSE - Multiphysics Object Oriented Simulation Environment */
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/* */
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/* (c) 2010 Battelle Energy Alliance, LLC */
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/* ALL RIGHTS RESERVED */
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/* */
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/* Prepared by Battelle Energy Alliance, LLC */
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/* Under Contract No. DE-AC07-05ID14517 */
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/* With the U. S. Department of Energy */
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/* */
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/* See COPYRIGHT for full restrictions */
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/****************************************************************/
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#ifndef ELECTRONENERGYTERMTOWNSEND_H
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#define ELECTRONENERGYTERMTOWNSEND_H
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#include "Kernel.h"
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class ElectronEnergyTermTownsend;
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template <>
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InputParameters validParams<ElectronEnergyTermTownsend>();
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class ElectronEnergyTermTownsend : public Kernel
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{
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public:
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ElectronEnergyTermTownsend(const InputParameters & parameters);
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virtual ~ElectronEnergyTermTownsend();
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protected:
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virtual Real computeQpResidual();
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virtual Real computeQpJacobian();
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virtual Real computeQpOffDiagJacobian(unsigned int jvar);
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Real _r_units;
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bool _elastic;
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Real _threshold_energy;
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const MaterialProperty<Real> & _elastic_energy;
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const MaterialProperty<Real> & _diffem;
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const MaterialProperty<Real> & _muem;
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const MaterialProperty<Real> & _alpha;
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const MaterialProperty<Real> & _d_iz_d_actual_mean_en;
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const MaterialProperty<Real> & _d_muem_d_actual_mean_en;
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const MaterialProperty<Real> & _d_diffem_d_actual_mean_en;
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const VariableGradient & _grad_potential;
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const VariableValue & _em;
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const VariableGradient & _grad_em;
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unsigned int _potential_id;
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unsigned int _em_id;
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Real _energy_change;
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};
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#endif /* ELECTRONENERGYTERMTOWNSEND_H */

‎include/kernels/ElectronImpactReactionProduct.h‎

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/****************************************************************/
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/* DO NOT MODIFY THIS HEADER */
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/* MOOSE - Multiphysics Object Oriented Simulation Environment */
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/* */
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/* (c) 2010 Battelle Energy Alliance, LLC */
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/* ALL RIGHTS RESERVED */
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/* */
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/* Prepared by Battelle Energy Alliance, LLC */
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/* Under Contract No. DE-AC07-05ID14517 */
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/* With the U. S. Department of Energy */
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/* */
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/* See COPYRIGHT for full restrictions */
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/****************************************************************/
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#ifndef ELECTRONIMPACTREACTIONPRODUCT_H
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#define ELECTRONIMPACTREACTIONPRODUCT_H
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#include "Kernel.h"
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class ElectronImpactReactionProduct;
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template <>
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InputParameters validParams<ElectronImpactReactionProduct>();
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class ElectronImpactReactionProduct : public Kernel
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{
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public:
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ElectronImpactReactionProduct(const InputParameters & parameters);
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virtual ~ElectronImpactReactionProduct();
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protected:
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virtual Real computeQpResidual();
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virtual Real computeQpJacobian();
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virtual Real computeQpOffDiagJacobian(unsigned int jvar);
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Real _r_units;
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std::string _reaction_coeff_name;
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std::string _reaction_name;
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const MaterialProperty<Real> & _diffem;
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const MaterialProperty<Real> & _muem;
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const MaterialProperty<Real> & _alpha;
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const MaterialProperty<Real> & _d_iz_d_actual_mean_en;
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const MaterialProperty<Real> & _d_muem_d_actual_mean_en;
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const MaterialProperty<Real> & _d_diffem_d_actual_mean_en;
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const VariableValue & _mean_en;
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const VariableGradient & _grad_potential;
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const VariableValue & _em;
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const VariableGradient & _grad_em;
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unsigned int _mean_en_id;
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unsigned int _potential_id;
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unsigned int _em_id;
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};
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#endif /* ELECTRONIMPACTREACTIONPRODUCT_H */

‎include/kernels/ElectronImpactReactionReactant.h‎

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/****************************************************************/
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/* DO NOT MODIFY THIS HEADER */
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/* MOOSE - Multiphysics Object Oriented Simulation Environment */
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/* */
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/* (c) 2010 Battelle Energy Alliance, LLC */
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/* ALL RIGHTS RESERVED */
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/* */
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/* Prepared by Battelle Energy Alliance, LLC */
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/* Under Contract No. DE-AC07-05ID14517 */
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/* With the U. S. Department of Energy */
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/* */
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/* See COPYRIGHT for full restrictions */
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/****************************************************************/
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#ifndef ELECTRONIMPACTREACTIONREACTANT_H
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#define ELECTRONIMPACTREACTIONREACTANT_H
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#include "Kernel.h"
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class ElectronImpactReactionReactant;
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template <>
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InputParameters validParams<ElectronImpactReactionReactant>();
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class ElectronImpactReactionReactant : public Kernel
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{
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public:
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ElectronImpactReactionReactant(const InputParameters & parameters);
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virtual ~ElectronImpactReactionReactant();
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protected:
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virtual Real computeQpResidual();
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virtual Real computeQpJacobian();
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virtual Real computeQpOffDiagJacobian(unsigned int jvar);
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Real _r_units;
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std::string _reaction_coeff_name;
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std::string _reaction_name;
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const MaterialProperty<Real> & _diffem;
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const MaterialProperty<Real> & _muem;
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const MaterialProperty<Real> & _alpha;
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const MaterialProperty<Real> & _d_iz_d_actual_mean_en;
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const MaterialProperty<Real> & _d_muem_d_actual_mean_en;
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const MaterialProperty<Real> & _d_diffem_d_actual_mean_en;
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const VariableValue & _mean_en;
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const VariableGradient & _grad_potential;
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const VariableValue & _em;
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const VariableGradient & _grad_em;
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unsigned int _mean_en_id;
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unsigned int _potential_id;
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unsigned int _em_id;
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};
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#endif /* ELECTRONIMPACTREACTIONREACTANT_H */

‎include/kernels/ElectronReactantSecondOrderLog.h‎

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const MaterialProperty<Real> & _n_gas;
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Real _stoichiometric_coeff;
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bool _v_eq_electron;
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};
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#endif // ELECTRONREACTANTSECONDORDERLOG_H

‎include/materials/EEDFRateConstantTownsend.h‎

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MaterialProperty<unsigned int> & _d_alpha_d_var_id;
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MaterialProperty<bool> & _target_coupled;
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bool _is_target_aux;
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const MaterialProperty<Real> & _n_gas;
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// const MaterialProperty<Real> & _n_gas;
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const MaterialProperty<Real> & _massIncident;
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const MaterialProperty<Real> & _massTarget;
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‎src/actions/AddZapdosReactions.C‎

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InputParameters params = _factory.getValidParams(reactant_kernel_name);
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params.set<NonlinearVariableName>("variable") = _species[j];
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params.set<Real>("coefficient") = _species_count[i][j];
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// std::cout << getParam<std::vector<SubdomainName>>("block")[0] << ", " << _species_count[i][j] << std::endl;
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// mooseError("TESTING");
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// std::cout << getParam<std::vector<SubdomainName>>("block")[0] << ", " <<
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// _species_count[i][j] << std::endl; mooseError("TESTING");
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params.set<std::string>("reaction") = _reaction[i];
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if (find_other || find_aux)
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{

‎src/kernels/ElectronEnergyTermElasticTownsend.C‎

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//* This file is part of CRANE, an open-source
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//* application for the simulation of plasmas
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//* https://github.com/lcpp-org/crane
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//*
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//* CRANE is powered by the MOOSE Framework
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//* https://www.mooseframework.org
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//*
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//* Licensed under LGPL 2.1, please see LICENSE for details
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//* https://www.gnu.org/licenses/lgpl-2.1.html
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#include "ElectronEnergyTermElasticTownsend.h"
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registerMooseObject("CraneApp", ElectronEnergyTermElasticTownsend);
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template <>
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InputParameters
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validParams<ElectronEnergyTermElasticTownsend>()
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{
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InputParameters params = validParams<Kernel>();
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params.addRequiredCoupledVar("potential", "The potential.");
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params.addRequiredCoupledVar("electron_species", "The electron density.");
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params.addRequiredCoupledVar("target_species", "The target species variable.");
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params.addRequiredParam<std::string>("reaction",
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"Stores the name of the reaction (townsend) coefficient, "
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"unique to each individual reaction.");
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params.addRequiredParam<Real>("position_units", "Units of position.");
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return params;
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}
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ElectronEnergyTermElasticTownsend::ElectronEnergyTermElasticTownsend(
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const InputParameters & parameters)
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: Kernel(parameters),
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_r_units(1. / getParam<Real>("position_units")),
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_diffem(getMaterialProperty<Real>("diffem")),
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_muem(getMaterialProperty<Real>("muem")),
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_alpha(getMaterialProperty<Real>("alpha_" + getParam<std::string>("reaction"))),
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_d_iz_d_actual_mean_en(getMaterialProperty<Real>("d_iz_d_actual_mean_en")),
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_d_muem_d_actual_mean_en(getMaterialProperty<Real>("d_muem_d_actual_mean_en")),
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_d_diffem_d_actual_mean_en(getMaterialProperty<Real>("d_diffem_d_actual_mean_en")),
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// _massem(getMaterialProperty<Real>("mass" + (*getVar("electron_species",0)).name())),
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_massGas(getMaterialProperty<Real>("mass" + (*getVar("target_species", 0)).name())),
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_d_el_d_actual_mean_en(getMaterialProperty<Real>("d_el_d_actual_mean_en")),
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_grad_potential(coupledGradient("potential")),
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_em(coupledValue("electron_species")),
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_grad_em(coupledGradient("electron_species")),
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_potential_id(coupled("potential")),
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_em_id(coupled("electron_species"))
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{
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_massem = 9.11e-31;
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}
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ElectronEnergyTermElasticTownsend::~ElectronEnergyTermElasticTownsend() {}
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Real
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ElectronEnergyTermElasticTownsend::computeQpResidual()
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{
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Real electron_flux_mag = (-_muem[_qp] * -_grad_potential[_qp] * _r_units * std::exp(_em[_qp]) -
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_diffem[_qp] * std::exp(_em[_qp]) * _grad_em[_qp] * _r_units)
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.norm();
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Real Eel = -3.0 * _massem / _massGas[_qp] * 2.0 / 3 * std::exp(_u[_qp] - _em[_qp]);
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Real el_term = _alpha[_qp] * electron_flux_mag * Eel;
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return -_test[_i][_qp] * el_term;
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}
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Real
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ElectronEnergyTermElasticTownsend::computeQpJacobian()
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{
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Real d_actual_mean_en_d_mean_en = std::exp(_u[_qp] - _em[_qp]) * _phi[_j][_qp];
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Real d_el_d_mean_en = _d_el_d_actual_mean_en[_qp] * d_actual_mean_en_d_mean_en;
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Real d_muem_d_mean_en = _d_muem_d_actual_mean_en[_qp] * d_actual_mean_en_d_mean_en;
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Real d_diffem_d_mean_en = _d_diffem_d_actual_mean_en[_qp] * d_actual_mean_en_d_mean_en;
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RealVectorValue electron_flux =
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-_muem[_qp] * -_grad_potential[_qp] * _r_units * std::exp(_em[_qp]) -
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_diffem[_qp] * std::exp(_em[_qp]) * _grad_em[_qp] * _r_units;
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RealVectorValue d_electron_flux_d_mean_en =
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-d_muem_d_mean_en * -_grad_potential[_qp] * _r_units * std::exp(_em[_qp]) -
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d_diffem_d_mean_en * std::exp(_em[_qp]) * _grad_em[_qp] * _r_units;
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Real electron_flux_mag = electron_flux.norm();
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Real d_electron_flux_mag_d_mean_en = electron_flux * d_electron_flux_d_mean_en /
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(electron_flux_mag + std::numeric_limits<double>::epsilon());
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Real Eel = -3.0 * _massem / _massGas[_qp] * 2.0 / 3 * std::exp(_u[_qp] - _em[_qp]);
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Real d_Eel_d_mean_en =
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-3.0 * _massem / _massGas[_qp] * 2.0 / 3 * std::exp(_u[_qp] - _em[_qp]) * _phi[_j][_qp];
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Real d_el_term_d_mean_en =
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(electron_flux_mag * d_el_d_mean_en + _alpha[_qp] * d_electron_flux_mag_d_mean_en) * Eel +
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electron_flux_mag * _alpha[_qp] * d_Eel_d_mean_en;
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return -_test[_i][_qp] * d_el_term_d_mean_en;
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}
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Real
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ElectronEnergyTermElasticTownsend::computeQpOffDiagJacobian(unsigned int jvar)
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{
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Real d_actual_mean_en_d_em = -std::exp(_u[_qp] - _em[_qp]) * _phi[_j][_qp];
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Real d_el_d_em = _d_el_d_actual_mean_en[_qp] * d_actual_mean_en_d_em;
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Real d_muem_d_em = _d_muem_d_actual_mean_en[_qp] * d_actual_mean_en_d_em;
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Real d_diffem_d_em = _d_diffem_d_actual_mean_en[_qp] * d_actual_mean_en_d_em;
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RealVectorValue electron_flux =
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-_muem[_qp] * -_grad_potential[_qp] * _r_units * std::exp(_em[_qp]) -
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_diffem[_qp] * std::exp(_em[_qp]) * _grad_em[_qp] * _r_units;
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RealVectorValue d_electron_flux_d_potential =
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-_muem[_qp] * -_grad_phi[_j][_qp] * _r_units * std::exp(_em[_qp]);
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RealVectorValue d_electron_flux_d_em =
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-d_muem_d_em * -_grad_potential[_qp] * _r_units * std::exp(_em[_qp]) -
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_muem[_qp] * -_grad_potential[_qp] * _r_units * std::exp(_em[_qp]) * _phi[_j][_qp] -
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d_diffem_d_em * std::exp(_em[_qp]) * _grad_em[_qp] * _r_units -
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_diffem[_qp] * std::exp(_em[_qp]) * _phi[_j][_qp] * _grad_em[_qp] * _r_units -
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_diffem[_qp] * std::exp(_em[_qp]) * _grad_phi[_j][_qp] * _r_units;
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Real electron_flux_mag = electron_flux.norm();
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Real d_electron_flux_mag_d_potential =
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electron_flux * d_electron_flux_d_potential /
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(electron_flux_mag + std::numeric_limits<double>::epsilon());
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Real d_electron_flux_mag_d_em = electron_flux * d_electron_flux_d_em /
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(electron_flux_mag + std::numeric_limits<double>::epsilon());
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Real Eel = -3.0 * _massem / _massGas[_qp] * 2.0 / 3 * std::exp(_u[_qp] - _em[_qp]);
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Real d_Eel_d_em =
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-3.0 * _massem / _massGas[_qp] * 2.0 / 3 * std::exp(_u[_qp] - _em[_qp]) * -_phi[_j][_qp];
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Real d_Eel_d_potential = 0.0;
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Real d_el_term_d_em =
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(electron_flux_mag * d_el_d_em + _alpha[_qp] * d_electron_flux_mag_d_em) * Eel +
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electron_flux_mag * _alpha[_qp] * d_Eel_d_em;
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Real d_el_term_d_potential = (_alpha[_qp] * d_electron_flux_mag_d_potential) * Eel +
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electron_flux_mag * _alpha[_qp] * d_Eel_d_potential;
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if (jvar == _potential_id)
131+
return -_test[_i][_qp] * d_el_term_d_potential;
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else if (jvar == _em_id)
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return -_test[_i][_qp] * d_el_term_d_em;
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else
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return 0.0;
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}

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